Browsing by Subject "ABO3"

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    Dynamic nonlinear optical processes in some oxygen-octahedra ferroelectrics: first principle calculations
    (Taylor & Francis Inc., 2015) Simsek S.; Koc, H.; Palaz S.; Oltulu, O.; Mamedov, A. M.; Özbay, Ekmel
    The nonlinear optical properties and electro-optic effects of some oxygen-octahedra ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle calculations without the scissor approximation. We present calculations of the frequency- dependent complex dielectric function and the second harmonic generation response coefficient over a large frequency range in tetragonal and rhombohedral phases. The electronic linear electro-optic susceptibility is also evaluated below the band gap. These results are based on a series of the LDA calculation using DFT. The results for are in agreement with the experiment below the band gap and those for are compared with the experimental data where available. © 2015 Taylor & Francis Group, LLC.
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    Optical and electronic properties of orthorhombic and trigonal AXO3 (A=Cd, Zn; X=Sn, Ge): first principle calculation
    (Taylor and Francis Inc., 2016) Ozisik, H.; Simsek S.; Deligoz, E.; Mamedov, A. M.; Özbay, Ekmel
    Electronic structure and optical properties of the CdXO3 and ZnXO3 (X˭Ge, Sn) compounds have been investigated based on density functional theory. According to the predictive results, reveal that the CdXO3 and ZnXO3 would be candidates for a high performance lead free optical crystal, which will avoid the environmental toxicity problem of the lead-based materials.